8,8-dimethyl-3-(4-methylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide

Systemtic Name: 8,8-dimethyl-3-(4-methylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Openeye Name: 8,8-dimethyl-3-phenyl-3-(p-tolyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide CAS Name: 8,8-dimethyl-3-(4-methylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide IUPAC Name: 8,8-dimethyl-3-(4-methylphenyl)-3-phenyl-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Traditional Name: 8,8-dimethyl-3-phenyl-3-(p-tolyl)-1,4-dioxa-8-azoniaspiro[4.5]decan-2-one iodide Formula: C22H26INO3 MolecularWeight: 479.35121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C(=O)OC3(O2)CC[N+](CC3)(C)C)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=CC=C(C=C1)C2(C(=O)OC3(O2)CC[N+](CC3)(C)C)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H26NO3.HI/c1-17-9-11-19(12-10-17)22(18-7-5-4-6-8-18)20(24)25-21(26-22)13-15-23(2,3)16-14-21;/h4-12H,13-16H2,1-3H3;1H/q+1;/p-1